N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide

C14H18N2O2S — CID 5468231

IUPACN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CC3CCC2C3)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-2-6-13(7-3-10)19(17,18)16-15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,16H,4-5,8-9H2,1H3/b15-14+
InChIKeyPZUPHRFHGFOIGG-CCEZHUSRSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds3

About N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide

N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5468231) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
PubChem CID5468231
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\CC3CCC2C3)cc1
InChIInChI=1S/C14H18N2O2S/c1-10-2-6-13(7-3-10)19(17,18)16-15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,16H,4-5,8-9H2,1H3/b15-14+
InChIKeyPZUPHRFHGFOIGG-CCEZHUSRSA-N
XLogP2.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide (CID 5468231) is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\CC3CCC2C3)cc1.
What is the InChIKey of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is PZUPHRFHGFOIGG-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-2-6-13(7-3-10)19(17,18)16-15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,16H,4-5,8-9H2,1H3/b15-14+.
What are the key properties of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5468231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).